Task 38653707
| Name | test_466-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND5081_1 |
| Workunit | 31597200 |
| Created | 24 Oct 2026, 6:03:34 UTC |
| Sent | 24 Oct 2026, 6:10:54 UTC |
| Report deadline | 29 Oct 2026, 6:10:54 UTC |
| Received | 24 Oct 2026, 7:13:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641545 |
| Run time | 21 min 23 sec |
| CPU time | 21 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,562.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 698.73 MB |
| Peak swap size | 5.41 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
07:13:18 (19652): wrapper (7.9.26016): starting
07:13:18 (19652): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
07:13:19 (19652): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:13:19 (19652): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'E:\bonic2\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'E:\bonic2\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835324} normal block at 0x00000284884DBA40, 8 bytes long.
Data: < > 00 00 B4 88 84 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833986} normal block at 0x000002848A2B42C0, 1080 bytes long.
Data: < > 94 C0 00 00 CD CD CD CD 98 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x00000284884E1490, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:40:12 (6804): wrapper (7.9.26016): starting
07:40:12 (6804): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x0000011100244DE0, 8 bytes long.
Data: < ` > 00 00 60 00 11 01 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x00000111002462B0, 1080 bytes long.
Data: <Tb D > 54 62 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
07:48:13 (49996): wrapper (7.9.26016): starting
07:48:13 (49996): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000001E58DFA5400, 8 bytes long.
Data: < C > 00 00 43 8E E5 01 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x000001E58DFA60C0, 1080 bytes long.
Data: <t D > 74 11 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
07:54:17 (38128): wrapper (7.9.26016): starting
07:54:17 (38128): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x0000014AA9344C30, 8 bytes long.
Data: < r J > 00 00 72 A9 4A 01 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x0000014AA9346140, 1080 bytes long.
Data: <` ( > 60 AA 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
Object dump complete.
08:00:11 (9920): wrapper (7.9.26016): starting
08:00:11 (9920): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
08:02:24 (9920): C:/Windows/system32/cmd.exe exited; CPU time 99.750000
08:02:24 (9920): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 2943337 bytes.
Dumping objects ->
{1744} normal block at 0x000001D179B2EAE0, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1733} normal block at 0x000001D179B2DB10, 32 bytes long.
Data: <HOME=E:\bonic2\s> 48 4F 4D 45 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1722} normal block at 0x000001D179B2D570, 32 bytes long.
Data: <TMP=E:\bonic2\sl> 54 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 6C
{1711} normal block at 0x000001D179B2D4B0, 32 bytes long.
Data: <TEMP=E:\bonic2\s> 54 45 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1700} normal block at 0x000001D179B2DE70, 32 bytes long.
Data: <TMPDIR=E:\bonic2> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 6E 69 63 32
{1669} normal block at 0x000001D179B2EA00, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000001D179B34F30, 8 bytes long.
Data: < G{ > 00 00 47 7B D1 01 00 00
{319} normal block at 0x000001D179B35070, 8 bytes long.
Data: < b y > C0 62 B3 79 D1 01 00 00
{310} normal block at 0x000001D179B27BA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x000001D179B34C60, 16 bytes long.
Data: < a y > C8 61 B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000001D179B35660, 16 bytes long.
Data: < a y > A0 61 B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000001D179B2D930, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x000001D179B34A30, 16 bytes long.
Data: <xa y > 78 61 B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001D179B352F0, 16 bytes long.
Data: <Pa y > 50 61 B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001D179B348A0, 16 bytes long.
Data: <(a y > 28 61 B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001D179B35700, 16 bytes long.
Data: < a y > 00 61 B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001D179B2EA70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x000001D179B35200, 16 bytes long.
Data: < y > 08 A2 B2 79 D1 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001D179B2E2F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x000001D179B34EE0, 16 bytes long.
Data: < y > E0 A1 B2 79 D1 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D179B35520, 16 bytes long.
Data: < y > B8 A1 B2 79 D1 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D179B34E90, 16 bytes long.
Data: < y > 90 A1 B2 79 D1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D179B34BC0, 16 bytes long.
Data: <h y > 68 A1 B2 79 D1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D179B35610, 16 bytes long.
Data: <@ y > 40 A1 B2 79 D1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D179B34C10, 16 bytes long.
Data: < y > 18 A1 B2 79 D1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D179B2E290, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x000001D179B35570, 16 bytes long.
Data: < y > F0 A0 B2 79 D1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D179B2A0F0, 320 bytes long.
Data: <pU y y > 70 55 B3 79 D1 01 00 00 90 E2 B2 79 D1 01 00 00
{289} normal block at 0x000001D179B34CB0, 16 bytes long.
Data: < ` y > E0 60 B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D179B34850, 16 bytes long.
Data: < ` y > B8 60 B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D179B2E0B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x000001D179B34B20, 16 bytes long.
Data: < ` y > 90 60 B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D179B2E050, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x000001D179B34940, 16 bytes long.
Data: < _ y > D8 5F B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D179B35160, 16 bytes long.
Data: < _ y > B0 5F B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D179B34800, 16 bytes long.
Data: < _ y > 88 5F B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D179B35020, 16 bytes long.
Data: <`_ y > 60 5F B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D179B355C0, 16 bytes long.
Data: <8_ y > 38 5F B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D179B34B70, 16 bytes long.
Data: < _ y > 10 5F B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D179B350C0, 16 bytes long.
Data: < y > C0 EB B2 79 D1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D179B2EBC0, 40 bytes long.
Data: < P y y > C0 50 B3 79 D1 01 00 00 00 EA B2 79 D1 01 00 00
{275} normal block at 0x000001D179B34FD0, 16 bytes long.
Data: < ^ y > F0 5E B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D179B35340, 16 bytes long.
Data: < ^ y > C8 5E B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D179B2D9F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x000001D179B35110, 16 bytes long.
Data: < ^ y > A0 5E B3 79 D1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D179B35EA0, 992 bytes long.
Data: < Q y y > 10 51 B3 79 D1 01 00 00 F0 D9 B2 79 D1 01 00 00
{107} normal block at 0x000001D179B2D810, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x000001D179B2B900, 16 bytes long.
Data: < y > 90 E9 B2 79 D1 01 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x000001D179B2E990, 40 bytes long.
Data: < y y > 00 B9 B2 79 D1 01 00 00 10 D8 B2 79 D1 01 00 00
{84} normal block at 0x000001D179B2BC70, 16 bytes long.
Data: < =^ > 80 EA 3D 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001D179B2B590, 16 bytes long.
Data: <@ =^ > 40 E9 3D 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001D179B2C260, 16 bytes long.
Data: < W:^ > F8 57 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001D179B2BE50, 16 bytes long.
Data: < W:^ > D8 57 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001D179B2BD10, 16 bytes long.
Data: <P :^ > 50 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001D179B2C350, 16 bytes long.
Data: <0 :^ > 30 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001D179B2C210, 16 bytes long.
Data: < :^ > E0 02 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001D179B2BEA0, 16 bytes long.
Data: < :^ > 10 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001D179B2C1C0, 16 bytes long.
Data: <p :^ > 70 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001D179B2B6D0, 16 bytes long.
Data: < 8^ > 18 C0 38 5E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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